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. 2021 May 14;26(10):2929. doi: 10.3390/molecules26102929
3D Three-dimensional
5-FU Five-fluorouracil
ACPYPE Ante-Chamber Python Parser interface
CHPC Center for high performance computing
CPU Central processing unit
DPD Dihydropyrimidine dehydrogenase
FAD Flavin adenine dinucleotide
FMN Flavin mononucleotide
MCBP Metal center parameter builder
MD Molecular dynamics
MM Molecular mechanics
NADP Nicotinamide adenine dinucleotide phosphate
PBC Periodic boundary conditions
PDB Protein Data bank
PME Particle mesh Ewald
RESP Restricted electrostatic potential
QM Quantum mechanics
URF Five fluorouracil
VFFDT Visual force field derivation toolkit
WT Wild type